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Molecular dynamics simulation of friction on the atomic scale

机译：原子尺度上的摩擦的分子动力学模拟

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Several molecular dynamics simulations are performed, in order to clarify the atomic-scale stick-slip phenomenon which is commonly observed in the surface measurement using an atomic fine microscope (AFM). In the molecular dynamics simulations, a specimen and a slider are assumed to consist of monocrystalline copper and rigid diamond, respectively, and a Morse potential is postulated between a pair of atoms. Atomic behavior in a plane corresponding to the (111) crystal plane is simulated, dealing with a planar strain problem where the effect of the three-dimensional interatomic force and the spring constant of the AFM cantilever are also taken into consideration. Influence of the cantilever stiffness and dynamics of the specimen surface atoms on the atomic-scale stick-slip phenomenon are investigated. The simulation confirms that the atomic-scale stick-slip phenomenon can be expressed by a molecular dynamics simulation and that the stick-slip phenomenon of the surface atoms of the specimen affects the stick-slip phenomenon of the spring force. These results indicate that molecular dynamics simulation has an advantage in deciding the spring constant of cantilevers. [References: 10]
机译：为了阐明原子级粘滑现象，进行了几种分子动力学模拟，该现象通常是在使用原子精细显微镜（AFM）进行表面测量时观察到的。在分子动力学模拟中，假定一个样本和一个滑块分别由单晶铜和刚性金刚石组成，并且假定在一对原子之间存在莫尔斯电势。模拟了与（111）晶面相对应的平面中的原子行为，从而解决了平面应变问题，其中还考虑了三维原子间作用力和AFM悬臂的弹簧常数的影响。研究了悬臂刚度和试样表面原子动力学对原子尺度粘滑现象的影响。该模拟证实了可以通过分子动力学模拟来表达原子尺度的粘滑现象，并且样品的表面原子的粘滑现象影响了弹簧力的粘滑现象。这些结果表明分子动力学模拟在确定悬臂的弹簧常数方面具有优势。 [参考：10]

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